Molecule card · MolClass #39219
14737429
14737429: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14737429Mitochondrial Fusion · compound_name
- MolClass ID
- 39219
- InChIKey
- UCENZNBLIBOHIV-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)C(=O)C(=O)c2cccn2(c1ccccc1(C#N))
- Standard InChI
- InChI=1S/C15H13N3O2/c1-17(2)15(20)14(19)13-8-5-9-18(13)12-7-4-3-6-11(12)10-16/h3-9H,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)-n2cccc2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.283 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.586
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 14737429